SCHEMBL10619332

SCHEMBL10619332

O=C(O)c1cnc2cc(N3CCC(CNCC(F)(F)F)C3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.41
▸ HDAC3 O15379 5/20 0.40
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC2 Q92769 3/20 0.38
▸ PPARA Q07869 2/20 0.37
▸ RBP4 P02753 2/20 0.37
▸ TTR P02766 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ MGAM O43451 1/20 0.37
▸ PTGER4 P35408 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11014645 0.77 MGAM (0.45) HDAC3HDAC1HDAC2ABL1MGAM
SCHEMBL8727055 0.72 HDAC3 (0.60) HDAC3HDAC1HDAC2ABL1MGAM
SCHEMBL15681572 0.72 TERT (0.56) HDAC3HDAC1HDAC2ABL1MGAM
Hydrochloric Acid SCHEMBL15534244 0.71 HDAC3 (0.59) HDAC3HDAC1HDAC2ABL1MGAM
SCHEMBL10922894 0.70 MGAM (0.49) HPGDSHDAC3HDAC1HDAC2MGAM
SCHEMBL21835803 0.70 CHEK1 (0.53) HDAC3HDAC1HDAC2ABL1MGAM
SCHEMBL10866344 0.69 HDAC3 (0.41) HPGDSHDAC3HDAC1HDAC2ABL1
SCHEMBL15666121 0.65 CKS1B (0.48) —
SCHEMBL14155939 0.64 USP2 (0.49) HPGDSHDAC1
SCHEMBL4580665 0.64 USP2 (0.49) HPGDSHDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0106489-B1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1988-07-27 — — EP disclosed
Send feedback